2-[(E)-but-2-enyl]-3-methyl-octanoic acid

Systemtic Name: 2-[(E)-but-2-enyl]-3-methyl-octanoic acid Openeye Name: 2-[(E)-but-2-enyl]-3-methyl-octanoic acid CAS Name: 2-[(E)-but-2-enyl]-3-methyloctanoic acid IUPAC Name: 2-[(E)-but-2-enyl]-3-methyloctanoic acid Traditional Name: (E)-2-(1-methylhexyl)hex-4-enoic acid Formula: C13H24O2 MolecularWeight: 212.32846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(CC=CC)C(=O)O

Isomeric SMILES

CCCCCC(C)C(C/C=C/C)C(=O)O

InChI

InChI=1S/C13H24O2/c1-4-6-8-9-11(3)12(13(14)15)10-7-5-2/h5,7,11-12H,4,6,8-10H2,1-3H3,(H,14,15)/b7-5+